(5aR,8S,9aS)-1,8-dimethyl-5a-propan-2-yl-7,8,9,9a-tetrahydro-6H-dibenzofuran-3-ol

C17H24O2 — CID 162940138

IUPAC(5aR,8S,9aS)-1,8-dimethyl-5a-propan-2-yl-7,8,9,9a-tetrahydro-6H-dibenzofuran-3-ol
SMILESCc1cc(O)cc2c1[C@@H]1C[C@@H](C)CC[C@]1(C(C)C)O2
InChIInChI=1S/C17H24O2/c1-10(2)17-6-5-11(3)7-14(17)16-12(4)8-13(18)9-15(16)19-17/h8-11,14,18H,5-7H2,1-4H3/t11-,14-,17+/m0/s1
InChIKeyZDUXJUFDANMHKO-PZSREKOKSA-N
MW260.38 g/mol
LogP4.39
Rot. Bonds1

About (5aR,8S,9aS)-1,8-dimethyl-5a-propan-2-yl-7,8,9,9a-tetrahydro-6H-dibenzofuran-3-ol

(5aR,8S,9aS)-1,8-dimethyl-5a-propan-2-yl-7,8,9,9a-tetrahydro-6H-dibenzofuran-3-ol (PubChem CID 162940138) has the molecular formula C17H24O2 and a molecular weight of 260.38 g/mol. Its IUPAC name is (5aR,8S,9aS)-1,8-dimethyl-5a-propan-2-yl-7,8,9,9a-tetrahydro-6H-dibenzofuran-3-ol.

Molecular Properties

Compound Name(5aR,8S,9aS)-1,8-dimethyl-5a-propan-2-yl-7,8,9,9a-tetrahydro-6H-dibenzofuran-3-ol
PubChem CID162940138
Molecular FormulaC17H24O2
Molecular Weight260.38 g/mol
Exact Mass260.18
IUPAC Name(5aR,8S,9aS)-1,8-dimethyl-5a-propan-2-yl-7,8,9,9a-tetrahydro-6H-dibenzofuran-3-ol
SMILESCc1cc(O)cc2c1[C@@H]1C[C@@H](C)CC[C@]1(C(C)C)O2
InChIInChI=1S/C17H24O2/c1-10(2)17-6-5-11(3)7-14(17)16-12(4)8-13(18)9-15(16)19-17/h8-11,14,18H,5-7H2,1-4H3/t11-,14-,17+/m0/s1
InChIKeyZDUXJUFDANMHKO-PZSREKOKSA-N
XLogP4.39
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5aR,8S,9aS)-1,8-dimethyl-5a-propan-2-yl-7,8,9,9a-tetrahydro-6H-dibenzofuran-3-ol?
The IUPAC name of (5aR,8S,9aS)-1,8-dimethyl-5a-propan-2-yl-7,8,9,9a-tetrahydro-6H-dibenzofuran-3-ol (CID 162940138) is (5aR,8S,9aS)-1,8-dimethyl-5a-propan-2-yl-7,8,9,9a-tetrahydro-6H-dibenzofuran-3-ol.
What is the SMILES notation for (5aR,8S,9aS)-1,8-dimethyl-5a-propan-2-yl-7,8,9,9a-tetrahydro-6H-dibenzofuran-3-ol?
The canonical SMILES for (5aR,8S,9aS)-1,8-dimethyl-5a-propan-2-yl-7,8,9,9a-tetrahydro-6H-dibenzofuran-3-ol is Cc1cc(O)cc2c1[C@@H]1C[C@@H](C)CC[C@]1(C(C)C)O2.
What is the InChIKey of (5aR,8S,9aS)-1,8-dimethyl-5a-propan-2-yl-7,8,9,9a-tetrahydro-6H-dibenzofuran-3-ol?
The InChIKey is ZDUXJUFDANMHKO-PZSREKOKSA-N. The full InChI is InChI=1S/C17H24O2/c1-10(2)17-6-5-11(3)7-14(17)16-12(4)8-13(18)9-15(16)19-17/h8-11,14,18H,5-7H2,1-4H3/t11-,14-,17+/m0/s1.
What are the key properties of (5aR,8S,9aS)-1,8-dimethyl-5a-propan-2-yl-7,8,9,9a-tetrahydro-6H-dibenzofuran-3-ol?
(5aR,8S,9aS)-1,8-dimethyl-5a-propan-2-yl-7,8,9,9a-tetrahydro-6H-dibenzofuran-3-ol has a molecular weight of 260.38 g/mol, XLogP of 4.39, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5aR,8S,9aS)-1,8-dimethyl-5a-propan-2-yl-7,8,9,9a-tetrahydro-6H-dibenzofuran-3-ol is sourced from PubChem (CID 162940138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).